4-[(1R)-1-azidoethyl]-N,N-dimethylaniline

C10H14N4 — CID 104853510

IUPAC4-[(1R)-1-azidoethyl]-N,N-dimethylaniline
SMILESC[C@@H](N=[N+]=[N-])c1ccc(N(C)C)cc1
InChIInChI=1S/C10H14N4/c1-8(12-13-11)9-4-6-10(7-5-9)14(2)3/h4-8H,1-3H3/t8-/m1/s1
InChIKeyVVIPEQXZDZGGJA-MRVPVSSYSA-N
MW190.25 g/mol
LogP3.12
Rot. Bonds3

About 4-[(1R)-1-azidoethyl]-N,N-dimethylaniline

4-[(1R)-1-azidoethyl]-N,N-dimethylaniline (PubChem CID 104853510) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-[(1R)-1-azidoethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1R)-1-azidoethyl]-N,N-dimethylaniline
PubChem CID104853510
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name4-[(1R)-1-azidoethyl]-N,N-dimethylaniline
SMILESC[C@@H](N=[N+]=[N-])c1ccc(N(C)C)cc1
InChIInChI=1S/C10H14N4/c1-8(12-13-11)9-4-6-10(7-5-9)14(2)3/h4-8H,1-3H3/t8-/m1/s1
InChIKeyVVIPEQXZDZGGJA-MRVPVSSYSA-N
XLogP3.12
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-azido-N,N-dimethylaniline
CID 584035
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
bis[4-(dimethylamino)phenyl]methylazanium chloride
CID 146471304
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane
CID 142883586
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline
CID 102127317
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733
4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline
CID 79299472

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-azidoethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(1R)-1-azidoethyl]-N,N-dimethylaniline (CID 104853510) is 4-[(1R)-1-azidoethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1R)-1-azidoethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(1R)-1-azidoethyl]-N,N-dimethylaniline is C[C@@H](N=[N+]=[N-])c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(1R)-1-azidoethyl]-N,N-dimethylaniline?
The InChIKey is VVIPEQXZDZGGJA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8(12-13-11)9-4-6-10(7-5-9)14(2)3/h4-8H,1-3H3/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-azidoethyl]-N,N-dimethylaniline?
4-[(1R)-1-azidoethyl]-N,N-dimethylaniline has a molecular weight of 190.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-azidoethyl]-N,N-dimethylaniline is sourced from PubChem (CID 104853510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).